SCHEMBL758022

SCHEMBL758022

CC(C)COc1ccc(Cl)cc1Cn1ccc(NC(=O)c2ccccc2F)n1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 17/20 0.60
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
STAT3 P40763 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL758492 0.91 PTGER1 (0.61) PTGER1NPSR1LMNAGAA
SCHEMBL754960 0.90 PTGER1 (0.63) PTGER1
SCHEMBL757451 0.90 PTGER1 (0.57) PTGER1NPSR1LMNAGAASMN1; SMN2
SCHEMBL760796 0.85 PTGER1 (0.59) PTGER1
SCHEMBL562072 0.82 PTGER1 (0.56) PTGER1
SCHEMBL695987 0.81 LMNA (0.56) PTGER1NPSR1LMNAGAASMN1; SMN2
SCHEMBL759178 0.80 STIM1 (0.56) PTGER1NPSR1LMNAGAASMN1; SMN2
SCHEMBL758182 0.78 STIM1 (0.64) PTGER1NPSR1LMNAGAASMN1; SMN2
SCHEMBL758016 0.78 PTGER1 (0.57) PTGER1NPSR1LMNAGAASMN1; SMN2
SCHEMBL759700 0.78 PTGER1 (0.78) PTGER1NPSR1LMNAGAASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E PTGER1 627/4885NPSR1 1293/4885LMNA 857/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 PTGER1 247/4885NPSR1 1288/4885LMNA 4198/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.